Should you encounter any unexpected behaviour,
please let us know.

* TRANSFERASE/RNA 05-DEC-14 4RWP *

B-factor analysis for ID 2503071142443400561

Overall B-factor prediction

Correlation= 0.751 for 346 C-alpha atoms.

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS	B-SCALED	B-OBS
2 CA MET 1 0.0718 72.2085 61.7000
10 CA GLU 2 0.0472 55.8384 44.4200
19 CA LEU 3 0.0191 37.1496 36.8100
27 CA ARG 4 0.0255 41.3924 43.2200
38 CA HIS 5 0.0356 48.1129 41.5200
48 CA THR 6 0.0241 40.4884 42.1300
55 CA PRO 7 0.0251 41.1122 41.3400
62 CA ALA 8 0.0195 37.4130 34.6100
67 CA ARG 9 0.0373 49.2769 40.1300
78 CA ASP 10 0.0240 40.4019 36.5200
86 CA LEU 11 0.0105 31.4142 33.2200
94 CA ASP 12 0.0103 31.2761 35.1200
102 CA LYS 13 0.0130 33.1145 30.6900
111 CA PHE 14 0.0125 32.7741 34.3800
122 CA ILE 15 0.0090 30.4376 30.1600
130 CA GLU 16 0.0102 31.2021 30.5900
139 CA ASP 17 0.0158 34.9487 40.3200
147 CA HIS 18 0.0156 34.8266 39.0500
157 CA LEU 19 0.0094 30.7151 35.1900
165 CA LEU 20 0.0092 30.5817 35.7900
173 CA PRO 21 0.0107 31.5836 42.0700
180 CA ASN 22 0.0152 34.5511 36.6000
188 CA THR 23 0.0253 41.2808 44.5700
195 CA CYS 24 0.0312 45.1735 43.0000
201 CA PHE 25 0.0162 35.1933 44.8900
212 CA ARG 26 0.0140 33.7857 39.9400
223 CA THR 27 0.0190 37.0981 38.2200
230 CA GLN 28 0.0167 35.5270 39.2900
239 CA VAL 29 0.0115 32.0685 35.3400
246 CA LYS 30 0.0109 31.6980 35.7300
255 CA GLU 31 0.0124 32.6640 39.6700
264 CA ALA 32 0.0106 31.4747 32.1000
269 CA ILE 33 0.0082 29.9111 30.5200
277 CA ASP 34 0.0083 29.9349 32.1200
285 CA ILE 35 0.0098 30.9385 29.0800
293 CA VAL 36 0.0081 29.8371 29.8500
300 CA CYS 37 0.0075 29.4431 30.2200
306 CA ARG 38 0.0086 30.1671 36.8100
317 CA PHE 39 0.0099 31.0111 30.4400
328 CA LEU 40 0.0084 30.0076 32.7800
336 CA LYS 41 0.0091 30.4909 37.8300
345 CA GLU 42 0.0119 32.3879 41.2300
354 CA ARG 43 0.0167 35.5471 41.6100
365 CA CYS 44 0.0141 33.8344 36.8900
371 CA PHE 45 0.0127 32.8842 46.1700
382 CA GLN 46 0.0167 35.5281 50.6700
391 CA GLY 47 0.0758 74.8636 63.9000
395 CA THR 48 0.1378 116.0735 65.9200
402 CA ALA 49 0.1474 122.4388 54.0100
407 CA ASP 50 0.0553 61.2475 55.8000
415 CA PRO 51 0.0457 54.8121 51.2400
422 CA VAL 52 0.0203 37.9182 46.5900
429 CA ARG 53 0.0130 33.0714 43.7000
440 CA VAL 54 0.0093 30.6365 35.7000
447 CA SER 55 0.0083 29.9550 36.1200
453 CA LYS 56 0.0068 28.9381 33.6600
462 CA VAL 57 0.0050 27.7807 22.6100
469 CA VAL 58 0.0053 27.9615 25.2000
476 CA LYS 59 0.0054 28.0286 28.9000
485 CA GLY 60 0.0061 28.4740 35.4800
489 CA GLY 61 0.0066 28.8684 36.2400
493 CA SER 62 0.0070 29.0958 40.5100
499 CA SER 63 0.0068 28.9594 39.7700
505 CA GLY 64 0.0061 28.4731 38.8500
509 CA LYS 65 0.0062 28.5522 36.2500
518 CA GLY 66 0.0066 28.8099 36.1700
522 CA THR 67 0.0064 28.6976 36.8300
529 CA THR 68 0.0077 29.5445 35.5100
536 CA LEU 69 0.0096 30.8127 30.5700
544 CA ARG 70 0.0116 32.1450 38.3500
555 CA GLY 71 0.0160 35.0763 38.4700
559 CA ARG 72 0.0141 33.8039 43.9900
570 CA SER 73 0.0143 33.9556 43.1500
576 CA ASP 74 0.0130 33.1011 46.6600
584 CA ALA 75 0.0097 30.8733 39.1400
589 CA ASP 76 0.0090 30.4506 34.7700
597 CA LEU 77 0.0060 28.4432 31.3600
605 CA VAL 78 0.0055 28.0970 28.6100
612 CA VAL 79 0.0059 28.3382 33.7800
619 CA PHE 80 0.0057 28.2628 35.1500
630 CA LEU 81 0.0093 30.6187 38.4400
638 CA THR 82 0.0130 33.1226 45.7100
645 CA LYS 83 0.0176 36.1430 57.8900
654 CA LEU 84 0.0147 34.2442 55.4000
662 CA THR 85 0.0211 38.4701 57.3900
669 CA SER 86 0.0167 35.5579 46.3700
675 CA PHE 87 0.0130 33.0595 38.6900
686 CA GLU 88 0.0187 36.8539 48.1100
695 CA ASP 89 0.0180 36.3851 45.9600
703 CA GLN 90 0.0131 33.1635 42.8200
712 CA LEU 91 0.0180 36.4315 49.9500
720 CA ARG 92 0.0249 41.0084 56.1900
731 CA ARG 93 0.0193 37.2801 48.5500
742 CA ARG 94 0.0162 35.2395 49.2500
753 CA GLY 95 0.0233 39.9380 49.7000
757 CA GLU 96 0.0235 40.0580 45.5100
766 CA PHE 97 0.0146 34.1336 44.5500
777 CA ILE 98 0.0159 35.0501 43.4000
785 CA GLN 99 0.0224 39.3427 49.6700
794 CA GLU 100 0.0188 36.9391 44.5900
803 CA ILE 101 0.0138 33.5977 44.6500
811 CA ARG 102 0.0176 36.1541 41.1500
822 CA ARG 103 0.0255 41.4073 45.1800
833 CA GLN 104 0.0197 37.5649 40.0000
842 CA LEU 105 0.0180 36.4023 37.7600
850 CA GLU 106 0.0274 42.6918 40.7000
859 CA ALA 107 0.0345 47.3674 40.0500
864 CA CYS 108 0.0297 44.2162 40.7500
870 CA GLN 109 0.0351 47.7939 38.9700
879 CA ARG 110 0.0563 61.8947 41.9600
890 CA GLU 111 0.0692 70.4919 39.9000
899 CA GLN 112 0.0786 76.7070 47.7800
908 CA LYS 113 0.0426 52.7475 44.6400
917 CA PHE 114 0.0320 45.7504 43.1300
928 CA LYS 115 0.0298 44.2925 40.9700
937 CA VAL 116 0.0246 40.8375 38.8800
944 CA THR 117 0.0296 44.1421 46.7300
951 CA PHE 118 0.0301 44.4397 53.4400
962 CA GLU 119 0.0629 66.3048 83.8600
971 CA VAL 120 0.1007 91.4333 112.7800
978 CA GLN 121 0.1130 99.6196 128.5200
987 CA SER 122 0.1359 114.8507 128.0400
993 CA PRO 123 0.1230 106.2573 131.5000
1000 CA ARG 124 0.1285 109.8798 124.3600
1011 CA ARG 125 0.0845 80.6100 113.2800
1022 CA GLU 126 0.0916 85.3511 108.2200
1031 CA ASN 127 0.0391 50.4654 92.0700
1039 CA PRO 128 0.0337 46.8531 76.8100
1046 CA ARG 129 0.0178 36.2830 60.2100
1057 CA ALA 130 0.0175 36.0989 47.9400
1062 CA LEU 131 0.0165 35.3932 42.3900
1070 CA SER 132 0.0189 37.0096 39.1100
1076 CA PHE 133 0.0183 36.6479 38.0800
1087 CA VAL 134 0.0194 37.3461 30.4700
1094 CA LEU 135 0.0173 35.9810 36.4300
1102 CA SER 136 0.0237 40.2401 42.8000
1108 CA SER 137 0.0266 42.1231 49.3600
1114 CA PRO 138 0.0542 60.4873 58.3800
1121 CA GLN 139 0.0416 52.1263 57.3900
1130 CA LEU 140 0.0286 43.4609 45.6200
1138 CA GLN 141 0.0479 56.3002 50.4400
1147 CA GLN 142 0.0315 45.4122 41.7400
1156 CA GLU 143 0.0216 38.7815 44.1800
1165 CA VAL 144 0.0152 34.5598 34.8100
1172 CA GLU 145 0.0144 34.0216 40.3800
1181 CA PHE 146 0.0117 32.2132 34.9800
1192 CA ASP 147 0.0121 32.5026 41.4100
1200 CA VAL 148 0.0095 30.7854 33.3700
1207 CA LEU 149 0.0092 30.5601 33.0100
1215 CA PRO 150 0.0084 30.0248 33.8800
1222 CA ALA 151 0.0077 29.5488 35.9700
1227 CA PHE 152 0.0084 30.0388 37.5600
1238 CA ASP 153 0.0079 29.7096 35.2100
1246 CA ALA 154 0.0086 30.1382 39.2200
1251 CA LEU 155 0.0080 29.7761 34.2700
1259 CA GLY 156 0.0096 30.7993 32.9200
1263 CA GLN 157 0.0140 33.7505 41.0200
1272 CA TRP 158 0.0111 31.7974 40.2500
1286 CA THR 159 0.0172 35.8881 41.1300
1293 CA PRO 160 0.0159 35.0008 42.8600
1300 CA GLY 161 0.0417 52.1532 43.5800
1304 CA TYR 162 0.0287 43.5622 33.1500
1316 CA LYS 163 0.0174 36.0454 34.3400
1325 CA PRO 164 0.0157 34.8705 31.8300
1332 CA ASN 165 0.0297 44.1699 34.9000
1340 CA PRO 166 0.0187 36.8859 27.4200
1347 CA GLU 167 0.0237 40.2014 32.3100
1356 CA ILE 168 0.0151 34.4882 33.4800
1364 CA TYR 169 0.0114 32.0413 29.6000
1376 CA VAL 170 0.0169 35.6655 34.2300
1383 CA GLN 171 0.0165 35.4345 25.8100
1392 CA LEU 172 0.0119 32.3524 30.0000
1400 CA ILE 173 0.0151 34.5165 30.9000
1408 CA LYS 174 0.0241 40.5025 41.0300
1417 CA GLU 175 0.0205 38.0546 42.3500
1426 CA CYS 176 0.0196 37.4794 52.1500
1432 CA LYS 177 0.0293 43.8996 54.7800
1441 CA SER 178 0.0436 53.4466 58.5900
1447 CA ARG 179 0.0450 54.3514 57.2100
1458 CA GLY 180 0.0476 56.0781 51.6700
1462 CA LYS 181 0.0250 41.0754 56.5200
1471 CA GLU 182 0.0215 38.7431 46.8700
1480 CA GLY 183 0.0163 35.3046 40.0100
1484 CA GLU 184 0.0157 34.9196 50.5900
1493 CA PHE 185 0.0094 30.7018 40.1000
1504 CA SER 186 0.0087 30.2253 38.6000
1510 CA THR 187 0.0079 29.6877 33.2300
1517 CA CYS 188 0.0066 28.8186 31.6200
1523 CA PHE 189 0.0053 27.9874 28.0900
1534 CA THR 190 0.0058 28.2779 22.5400
1541 CA GLU 191 0.0060 28.4644 28.5800
1550 CA LEU 192 0.0065 28.7703 26.8300
1558 CA GLN 193 0.0059 28.3732 26.7700
1567 CA ARG 194 0.0062 28.5595 37.3800
1578 CA ASP 195 0.0081 29.8372 30.8600
1586 CA PHE 196 0.0069 29.0316 28.7300
1597 CA LEU 197 0.0058 28.3344 33.0900
1605 CA ARG 198 0.0067 28.9213 42.6800
1616 CA ASN 199 0.0080 29.7895 38.2100
1624 CA ARG 200 0.0072 29.2096 35.1300
1635 CA PRO 201 0.0085 30.0701 27.9500
1642 CA THR 202 0.0074 29.3871 27.7800
1649 CA LYS 203 0.0066 28.8295 28.4700
1658 CA LEU 204 0.0063 28.6229 26.0700
1666 CA LYS 205 0.0053 27.9995 26.3900
1675 CA SER 206 0.0052 27.8745 24.9600
1681 CA LEU 207 0.0049 27.7233 25.6800
1689 CA ILE 208 0.0053 27.9399 22.2900
1697 CA ARG 209 0.0059 28.3821 26.0900
1708 CA LEU 210 0.0059 28.3993 27.1200
1716 CA VAL 211 0.0061 28.5132 25.8400
1723 CA LYS 212 0.0074 29.3539 23.7500
1732 CA HIS 213 0.0113 31.9500 29.4000
1742 CA TRP 214 0.0103 31.3201 26.9200
1756 CA TYR 215 0.0122 32.5881 29.9000
1768 CA GLN 216 0.0170 35.7401 34.6100
1777 CA THR 217 0.0232 39.8787 32.4400
1784 CA CYS 218 0.0232 39.8961 38.4600
1790 CA LYS 219 0.0347 47.5244 32.0000
1799 CA LYS 220 0.0576 62.7423 49.2500
1808 CA THR 221 0.0547 60.8207 46.6000
1815 CA HIS 222 0.0485 56.6706 42.8700
1825 CA GLY 223 0.0650 67.7031 44.2400
1829 CA ASN 224 0.0688 70.2080 54.3700
1837 CA LYS 225 0.0478 56.2452 51.0100
1846 CA LEU 226 0.0282 43.1868 33.0100
1854 CA PRO 227 0.0180 36.4484 30.2000
1861 CA PRO 228 0.0170 35.7855 31.1400
1868 CA GLN 229 0.0099 30.9988 30.5000
1877 CA TYR 230 0.0080 29.7501 23.9700
1889 CA ALA 231 0.0087 30.2289 26.1900
1894 CA LEU 232 0.0071 29.1557 26.9300
1902 CA GLU 233 0.0061 28.4743 30.8700
1911 CA LEU 234 0.0062 28.5431 21.3100
1919 CA LEU 235 0.0067 28.9083 26.3500
1927 CA THR 236 0.0060 28.4418 23.3200
1934 CA VAL 237 0.0075 29.4304 23.3200
1941 CA TYR 238 0.0081 29.8498 26.7500
1953 CA ALA 239 0.0098 30.9685 29.4000
1958 CA TRP 240 0.0092 30.5867 26.4300
1972 CA GLU 241 0.0149 34.3403 31.8300
1981 CA GLN 242 0.0190 37.0821 34.4700
1990 CA GLY 243 0.0180 36.3892 38.2700
1994 CA SER 244 0.0169 35.6670 33.0900
2000 CA ARG 245 0.0214 38.7032 33.5200
2011 CA LYS 246 0.0242 40.5667 39.1500
2020 CA THR 247 0.0140 33.7315 39.7700
2027 CA ASP 248 0.0138 33.6346 40.8300
2035 CA PHE 249 0.0118 32.2741 30.8700
2046 CA SER 250 0.0123 32.6555 33.1000
2052 CA THR 251 0.0083 29.9925 28.4200
2059 CA ALA 252 0.0096 30.8106 31.5600
2064 CA GLN 253 0.0118 32.3208 25.3100
2073 CA GLY 254 0.0089 30.3746 27.0800
2077 CA PHE 255 0.0079 29.7124 29.3800
2088 CA GLN 256 0.0101 31.1916 31.9300
2097 CA THR 257 0.0102 31.2268 28.0600
2104 CA VAL 258 0.0084 30.0240 25.0300
2111 CA LEU 259 0.0108 31.6079 25.8700
2119 CA GLU 260 0.0131 33.1921 32.4600
2128 CA LEU 261 0.0114 32.0050 27.8200
2136 CA VAL 262 0.0124 32.6656 28.0000
2143 CA LEU 263 0.0178 36.2778 33.5300
2151 CA LYS 264 0.0204 37.9966 27.9800
2160 CA HIS 265 0.0171 35.7946 28.4400
2170 CA GLN 266 0.0285 43.3788 33.7500
2179 CA LYS 267 0.0341 47.1540 30.4900
2188 CA LEU 268 0.0182 36.5565 33.9800
2196 CA CYS 269 0.0132 33.2266 31.4800
2202 CA ILE 270 0.0107 31.5518 30.8600
2210 CA PHE 271 0.0093 30.6455 33.4900
2221 CA TRP 272 0.0095 30.7334 27.0800
2235 CA GLU 273 0.0142 33.8881 37.6600
2244 CA ALA 274 0.0135 33.4387 31.8500
2249 CA TYR 275 0.0100 31.0720 29.9000
2261 CA TYR 276 0.0111 31.8415 29.3700
2273 CA ASP 277 0.0211 38.4736 36.9400
2281 CA PHE 278 0.0260 41.7144 38.7900
2292 CA THR 279 0.0439 53.6125 45.7300
2299 CA ASN 280 0.0362 48.4961 39.9600
2307 CA PRO 281 0.0429 52.9689 39.8400
2314 CA VAL 282 0.0304 44.6312 34.6700
2321 CA VAL 283 0.0179 36.3314 28.0900
2328 CA GLY 284 0.0224 39.3624 32.1400
2332 CA ARG 285 0.0334 46.6444 36.7500
2343 CA CYS 286 0.0193 37.2744 34.2600
2349 CA MET 287 0.0154 34.7067 28.6700
2357 CA LEU 288 0.0240 40.4226 36.9600
2365 CA GLN 289 0.0226 39.4887 33.3000
2374 CA GLN 290 0.0166 35.4970 28.2300
2383 CA LEU 291 0.0198 37.6306 29.2800
2391 CA LYS 292 0.0365 48.7149 32.0300
2400 CA LYS 293 0.0266 42.1429 27.7800
2409 CA PRO 294 0.0345 47.4026 29.5800
2416 CA ARG 295 0.0217 38.8799 31.6200
2427 CA PRO 296 0.0172 35.9044 31.6800
2434 CA VAL 297 0.0128 32.9748 27.5800
2441 CA ILE 298 0.0102 31.2593 28.4000
2449 CA LEU 299 0.0086 30.1558 30.4200
2457 CA ASP 300 0.0077 29.5975 27.7900
2465 CA PRO 301 0.0070 29.0912 25.3600
2472 CA ALA 302 0.0064 28.7166 23.4800
2477 CA ASP 303 0.0075 29.4279 27.2800
2485 CA PRO 304 0.0083 29.9840 27.0000
2492 CA THR 305 0.0100 31.1203 33.3400
2499 CA GLY 306 0.0105 31.4195 32.4300
2503 CA ASN 307 0.0120 32.3964 31.3600
2511 CA VAL 308 0.0116 32.1643 34.5200
2518 CA GLY 309 0.0143 33.9697 38.3600
2522 CA GLY 310 0.0256 41.4700 53.1200
2526 CA GLY 311 0.0362 48.5408 50.2400
2530 CA ASP 312 0.0367 48.8504 44.8300
2538 CA THR 313 0.0355 48.0593 39.8500
2545 CA HIS 314 0.0458 54.8842 38.2600
2555 CA SER 315 0.0291 43.8177 34.9800
2561 CA TRP 316 0.0207 38.2130 31.2800
2575 CA GLN 317 0.0318 45.6079 33.9400
2584 CA ARG 318 0.0311 45.1020 30.3800
2595 CA LEU 319 0.0187 36.9062 27.8500
2603 CA ALA 320 0.0197 37.5151 24.7300
2608 CA GLN 321 0.0282 43.2181 35.4500
2617 CA GLU 322 0.0223 39.2602 33.0400
2626 CA ALA 323 0.0163 35.3096 33.0700
2631 CA ARG 324 0.0244 40.6899 41.0300
2642 CA VAL 325 0.0258 41.5819 35.5700
2649 CA TRP 326 0.0191 37.1497 33.7500
2663 CA LEU 327 0.0193 37.2579 44.6600
2671 CA GLY 328 0.0272 42.5158 41.2000
2675 CA TYR 329 0.0253 41.2611 40.3000
2687 CA PRO 330 0.0253 41.2632 37.9200
2694 CA CYS 331 0.0162 35.1958 42.9700
2700 CA CYS 332 0.0167 35.5519 40.5000
2706 CA LYS 333 0.0291 43.7917 47.8400
2715 CA ASN 334 0.0430 53.0600 48.4300
2723 CA LEU 335 0.0933 86.4860 53.6500
2731 CA ASP 336 0.1520 125.5527 60.2900
2739 CA GLY 337 0.0915 85.2733 50.6500
2743 CA SER 338 0.0761 75.0344 51.3900
2749 CA LEU 339 0.0329 46.3325 46.0500
2757 CA VAL 340 0.0278 42.9548 37.7400
2764 CA GLY 341 0.0225 39.4117 33.8200
2768 CA ALA 342 0.0180 36.4455 35.7400
2773 CA TRP 343 0.0239 40.3318 36.0400
2787 CA THR 344 0.0470 55.6942 56.7200
2794 CA MET 345 0.0436 53.4226 63.8000
2802 CA LEU 346 0.0931 86.3677 78.4800

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 8th, 2025.

Should you encounter any unexpected behaviour, please let us know.